5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine

C14H12IN3O — CID 66081189

IUPAC5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine
SMILESCOc1cccc(-n2c(N)nc3cc(I)ccc32)c1
InChIInChI=1S/C14H12IN3O/c1-19-11-4-2-3-10(8-11)18-13-6-5-9(15)7-12(13)17-14(18)16/h2-8H,1H3,(H2,16,17)
InChIKeyFKGNJTDBFYQVHX-UHFFFAOYSA-N
MW365.17 g/mol
LogP3.22
Rot. Bonds2

About 5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine

5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine (PubChem CID 66081189) has the molecular formula C14H12IN3O and a molecular weight of 365.17 g/mol. Its IUPAC name is 5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine
PubChem CID66081189
Molecular FormulaC14H12IN3O
Molecular Weight365.17 g/mol
Exact Mass365.00
IUPAC Name5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine
SMILESCOc1cccc(-n2c(N)nc3cc(I)ccc32)c1
InChIInChI=1S/C14H12IN3O/c1-19-11-4-2-3-10(8-11)18-13-6-5-9(15)7-12(13)17-14(18)16/h2-8H,1H3,(H2,16,17)
InChIKeyFKGNJTDBFYQVHX-UHFFFAOYSA-N
XLogP3.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-iodo-1-(4-iodophenyl)benzimidazol-2-amine
CID 66082572
1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine
CID 66080790
6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 65347117
6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 115470387
1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine
CID 115552236
2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714790
6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 62531537
1-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine
CID 66080003
5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66080984
5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine
CID 66082771
6-iodo-3-(3-methoxyphenyl)-1H-benzimidazole-2-thione
CID 66064722
5-(2-amino-5-iodobenzimidazol-1-yl)-2-fluorobenzonitrile
CID 66081402

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine?
The IUPAC name of 5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine (CID 66081189) is 5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine?
The canonical SMILES for 5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine is COc1cccc(-n2c(N)nc3cc(I)ccc32)c1.
What is the InChIKey of 5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine?
The InChIKey is FKGNJTDBFYQVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN3O/c1-19-11-4-2-3-10(8-11)18-13-6-5-9(15)7-12(13)17-14(18)16/h2-8H,1H3,(H2,16,17).
What are the key properties of 5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine?
5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine has a molecular weight of 365.17 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine is sourced from PubChem (CID 66081189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).